N4-[(2-chlorophenyl)methyl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(2-chlorophenyl)methyl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H23ClN6O2/c19-15-7-3-2-6-14(15)12-21-18-16(25(26)27)17(22-13-23-18)20-8-11-24-9-4-1-5-10-24/h2-3,6-7,13H,1,4-5,8-12H2,(H2,20,21,22,23)